SCHEMBL19879528

SCHEMBL19879528

COC(=O)c1cc(C(C)c2ccccc2)on1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13197123 0.79 ALDH1A1 (0.55) CYP1A2CYP2C19SMN1; SMN2MAPTTP53
SCHEMBL12809631 0.74 TYR (0.43) SMN1; SMN2LMNANPSR1MEN1ALDH1A1
SCHEMBL69157 0.73 MAPT (0.72) HSD17B10CYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL20320324 0.72 NPBWR1 (0.42) SMN1; SMN2NPSR1MEN1ALDH1A1KMT2A
SCHEMBL10839064 0.71 MAPT (0.49) HSD17B10CYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL4068453 0.71 TSHR (0.50) HSD17B10MAPTLMNAALDH1A1KMT2A
SCHEMBL20344471 0.71 CYP1A2 (0.54) HSD17B10CYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL2680771 0.70 TSHR (0.64) CYP1A2CYP2C19SMN1; SMN2MAPTTP53
SCHEMBL31485417 0.70 SMN1; SMN2 (0.53) HSD17B10CYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL19224500 0.69 CYP1A2 (0.51) HSD17B10CYP1A2CYP2C19MAPTTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 — — US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 — — US disclosed
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